2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol

C11H20O2 — CID 24744920

IUPAC2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol
SMILESCCCCO[C@H]1C=CC[C@H]1CCO
InChIInChI=1S/C11H20O2/c1-2-3-9-13-11-6-4-5-10(11)7-8-12/h4,6,10-12H,2-3,5,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyXKHZPVFBXIOQBS-QWRGUYRKSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds6

About 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol

2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol (PubChem CID 24744920) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol
PubChem CID24744920
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol
SMILESCCCCO[C@H]1C=CC[C@H]1CCO
InChIInChI=1S/C11H20O2/c1-2-3-9-13-11-6-4-5-10(11)7-8-12/h4,6,10-12H,2-3,5,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyXKHZPVFBXIOQBS-QWRGUYRKSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene
CID 24744770
(3R,4S)-3-(3-methylbutoxy)-4-[2-(3-methylbutoxy)ethyl]cyclopentene
CID 24744919
(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene
CID 24745087
(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene
CID 24745088
(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene
CID 24745089
2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol
CID 24745243
(E,3S)-7-methoxy-3,7-dimethyl-2-methylideneoct-5-en-1-ol
CID 11138086
(3S,5S,6Z)-3,5-dimethyl-2,3,4,8-tetrahydrooxocin-5-ol
CID 12153448
2-Hydroxy-4-methyl-5-propenyloxolane
CID 85859623
2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol
CID 11829879
(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol
CID 12836083
(E,3R,4S)-4-ethyl-7-prop-2-enoxyhept-5-en-1-yn-3-ol
CID 25224046

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol?
The IUPAC name of 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol (CID 24744920) is 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol?
The canonical SMILES for 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol is CCCCO[C@H]1C=CC[C@H]1CCO.
What is the InChIKey of 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol?
The InChIKey is XKHZPVFBXIOQBS-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-9-13-11-6-4-5-10(11)7-8-12/h4,6,10-12H,2-3,5,7-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol?
2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol is sourced from PubChem (CID 24744920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).